Marvin 05161115202D 70 74 0 0 1 0 999 V2000 8.8103 -14.6877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0959 -13.4502 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0959 -14.2752 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3813 -13.0377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3814 -14.6876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6669 -13.4501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6669 -14.2751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8103 -13.0377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3813 -15.5126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9523 -14.6876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9524 -13.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2379 -13.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5249 -10.9752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5249 -11.8001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8105 -10.5627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8103 -12.2127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0959 -10.9752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0959 -11.8001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2393 -12.2127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3815 -12.2127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3814 -10.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6670 -10.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9525 -10.5627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2381 -10.9754 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9525 -9.7378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5236 -10.5628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2381 -9.3253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5236 -9.7378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2381 -11.8003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8092 -10.9753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8091 -9.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2379 -8.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5236 -8.0879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3827 -9.3252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3827 -10.1502 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6683 -8.9127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6683 -10.5627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9538 -9.3252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9538 -10.1502 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0971 -8.9127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0971 -10.5627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6682 -11.3876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2393 -8.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0971 -11.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8117 -11.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3827 -11.8001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2393 -8.0877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2406 -7.6752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2406 -8.5002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5260 -7.2627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5260 -8.9127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8117 -7.6752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8117 -8.5002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9550 -7.2627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9550 -8.9127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5260 -9.7377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0971 -7.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3827 -7.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9550 -9.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6695 -10.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2406 -10.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3839 -7.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8128 -7.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6695 -7.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0984 -7.6752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8128 -6.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6695 -8.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0984 -8.5002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.5273 -7.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2393 -10.5627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 7 1 0 0 0 0 2 8 1 6 0 0 0 3 1 1 1 0 0 0 5 9 1 1 0 0 0 7 10 1 6 0 0 0 6 11 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 14 19 1 1 0 0 0 16 8 1 1 0 0 0 18 20 1 6 0 0 0 17 21 1 1 0 0 0 22 21 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 28 1 0 0 0 0 23 22 1 6 0 0 0 24 29 1 1 0 0 0 26 30 1 1 0 0 0 28 31 1 6 0 0 0 27 32 1 1 0 0 0 33 32 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 38 39 1 0 0 0 0 34 40 1 1 0 0 0 35 41 1 6 0 0 0 37 42 1 1 0 0 0 39 70 1 6 0 0 0 38 43 1 1 0 0 0 45 44 1 0 0 0 0 46 44 2 0 0 0 0 41 44 1 0 0 0 0 43 47 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 50 52 1 0 0 0 0 51 53 1 0 0 0 0 52 53 1 0 0 0 0 48 54 1 1 0 0 0 49 55 1 6 0 0 0 51 56 1 1 0 0 0 53 40 1 6 0 0 0 52 57 1 1 0 0 0 58 57 1 0 0 0 0 60 59 1 0 0 0 0 61 59 2 0 0 0 0 55 59 1 0 0 0 0 62 64 1 0 0 0 0 62 65 1 0 0 0 0 63 65 1 0 0 0 0 63 66 2 0 0 0 0 64 67 2 0 0 0 0 64 54 1 0 0 0 0 65 68 1 1 0 0 0 69 63 1 0 0 0 0 13 70 1 1 0 0 0 M END > CHEBI:62098 > N(4)-{alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-Asn > A glucosaminoglycan consisting of L-asparagine having the pentasaccharide α-D-Man-(1→3)-[α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc attached at the N4-position > 3 > TriMan; N(4)-{alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc}-Asn; Manalpha1-3(Manalpha1-6)Manbeta1-4GlcNAcbeta1-4GlcNAcbeta1-Asn; alpha-D-mannosyl-(1->3)-[alpha-D-mannosyl-(1->6)]-beta-D-mannosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucosyl-(1->4)-2-acetamido-N-L-beta-aspartyl-2-deoxy-beta-D-glucosylamine; (GlcNAc)2 (Man)3 (Asn)1 > alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-N-L-beta-aspartyl-2-deoxy-beta-D-glucopyranosylamine > C38H64N4O28 > 1024.92480 > 1024.37071 > 0 > CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1NC(=O)C[C@H](N)C(O)=O > InChI=1S/C38H64N4O28/c1-9(47)40-18-23(53)30(14(6-45)63-33(18)42-17(49)3-11(39)34(60)61)68-35-19(41-10(2)48)24(54)31(15(7-46)66-35)69-38-29(59)32(70-37-28(58)26(56)21(51)13(5-44)65-37)22(52)16(67-38)8-62-36-27(57)25(55)20(50)12(4-43)64-36/h11-16,18-33,35-38,43-46,50-59H,3-8,39H2,1-2H3,(H,40,47)(H,41,48)(H,42,49)(H,60,61)/t11-,12+,13+,14+,15+,16+,18+,19+,20+,21+,22+,23+,24+,25-,26-,27-,28-,29-,30+,31+,32-,33+,35-,36-,37+,38-/m0/s1 > UQEBOUGFBLKBSF-MFKWYPGSSA-N > 5229594 > G10652 > 19545571 $$$$